Related papers: Quantum Simulation of Molecular Collisions in the …
While thousands of experimental physicists and chemists are currently trying to build scalable quantum computers, it appears that simulation of quantum computation will be at least as critical as circuit simulation in classical VLSI design.…
Quantum simulation algorithms often require numerous ancilla qubits and deep circuits, prohibitive for near-term hardware. We introduce a framework for simulating quantum channels using ensembles of low-depth circuits in place of many-qubit…
Current quantum computing hardware is restricted by the availability of only few, noisy qubits which limits the investigation of larger, more complex molecules in quantum chemistry calculations on quantum computers in the near-term. In this…
Quantum computing has the potential to revolutionize multiple fields by solving complex problems that can not be solved in reasonable time with current classical computers. Nevertheless, the development of quantum computers is still in its…
The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can only be applied to small systems. By contrast, we demonstrate that quantum…
Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not in general applicable to soft, chemically inhomogeneous systems. The…
Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…
Complex quantum simulation workflows are often hindered by incompatible wavefunction representations adopted across different algorithmic frameworks. In particular, the mismatch between the first- and second-quantization formalisms prevents…
Useful relations describing arbitrary parameters of given quantum systems can be derived from simple physical constraints imposed on the vectors in the corresponding Hilbert space. This is well known and it usually proceeds by partitioning…
It is well known that quantum computers are superior to classical computers in efficiently simulating quantum systems. Here we report the first experimental simulation of quantum tunneling through potential barriers, a widespread phenomenon…
Quantum circuit simulation is paramount to the verification and optimization of quantum algorithms, and considerable research efforts have been made towards efficient simulators. While circuits often contain high-level gates such as oracles…
The use of $d$-level qudits instead of two-level qubits can largely increase the power of quantum logic for many applications, ranging from quantum simulations to quantum error correction. Molecular Nanomagnets are ideal spin systems to…
Quantum computing has recently exhibited great potentials in predicting chemical properties for various applications in drug discovery, material design, and catalyst optimization. Progress has been made in simulating small molecules, such…
Classical simulations of time-dependent quantum systems are widely used in quantum control research. In particular, these simulations are commonly used to host iterative optimal control algorithms. This is convenient for algorithms that are…
Unitary operations are the building blocks of quantum programs. Our task is to design effcient or optimal implementations of these unitary operations by employing the intrinsic physical resources of a given n-qubit system. The most common…
Here we describe an approach for simulating electronic structure on quantum computers with significantly lower asymptotic complexity than prior work. The approach uses a real-space first-quantised representation of the molecular Hamiltonian…
Quantum simulations of electronic structure and strongly correlated quantum phases are widely regarded as among the most promising applications of quantum computing. These computations naturally benefit from native fermionic encodings,…
The so-called "threshold" theorem says that, once the error rate per qubit per gate is below a certain value, indefinitely long quantum computation becomes feasible, even if all of the qubits involved are subject to relaxation processes,…
Classical simulation of real-space quantum dynamics is challenging due to the exponential scaling of computational cost with system dimensions. Quantum computer offers the potential to simulate quantum dynamics with polynomial complexity;…
Protein folding processes are a vital aspect of molecular biology that is hard to simulate with conventional computers. Quantum algorithms have been proven superior for certain problems and may help tackle this complex life science…